| SpectraBase Compound ID | 3IgYwKlg9zc |
|---|---|
| InChI | InChI=1S/C12H18O6.O/c1-5-17-9(14)7-6-8(13)10(15)11(16)18-12(2,3)4;/h5-7H2,1-4H3; |
| InChIKey | CYGGBUCHXGEKFS-UHFFFAOYSA-N |
| Mol Weight | 274.27 g/mol |
| Molecular Formula | C12H18O7 |
| Exact Mass | 274.105253 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 83Mr9QRkuWq |
|---|---|
| Name | t-Butyl 2,3-dioxo-5-ethoxycarbonylpentanoate monohydrate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C12H20O7 |
| InChI | InChI=1S/C12H18O6.O/c1-5-17-9(14)7-6-8(13)10(15)11(16)18-12(2,3)4;/h5-7H2,1-4H3; |
| InChIKey | CYGGBUCHXGEKFS-UHFFFAOYSA-N |
| Molecular Weight | 276.285 g/mol |
| SMILES | O.C(C(OC(C)(C)C)=O)(C(=O)CCC(=O)OCC)=O |
| SPLASH | splash10-0a4i-9800000000-ba78a8ae1f6c7780acb7 |
| Source of Spectrum | F-48-7077-5 |
| Wiley ID | 1261429 |